Structure-based drug design of an inhibitor of the SARS-CoV-2 (COVID-19) main protease using free software: A tutorial for students and scientists

This paper describes the structure-based design of a preliminary drug candidate against COVID-19 using free software and publicly available X-ray crystallographic structures. The goal of this tutorial is to disseminate skills in structure-based drug design and to allow others to unleash their own cr...

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Veröffentlicht in:	European journal of medicinal chemistry 2021-06, Vol.218, p.113390-113390, Article 113390
Hauptverfasser:	Zhang, Sheng, Krumberger, Maj, Morris, Michael A., Parrocha, Chelsea Marie T., Kreutzer, Adam G., Nowick, James S.
Format:	Artikel
Sprache:	eng
Schlagworte:	AutoDock vina Main protease (Mpro) inhibitor Molecular modeling tutorial SARS-CoV-2 Structure-based drug design (SBDD) UCSF Chimera
Online-Zugang:	Volltext
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